CID 55290948

2649066-87-3

Structural Information

Molecular Formula

C₆H₁₃N₃

SMILES

CC(C)(C1=NCCN1)N

InChI

InChI=1S/C6H13N3/c1-6(2,7)5-8-3-4-9-5/h3-4,7H2,1-2H3,(H,8,9)

InChIKey

WOCSROBZETXEHI-UHFFFAOYSA-N

Compound name

2-(4,5-dihydro-1H-imidazol-2-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 127.11095 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	128.118226	128.5
[M+Na]+	150.100168	135.3
[M-H]-	126.103674	127.5
[M+NH4]+	145.144773	148.5
[M+K]+	166.074108	133.6
[M+H-H2O]+	110.108210	122.2
[M+HCOO]-	172.109151	148.0
[M+CH3COO]-	186.124801	169.9
[M+Na-2H]-	148.085616	134.4
[M]+	127.11040142	123.4
[M]-	127.11149858	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe